1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride
TL;DR: 1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride (CAS 7400-96-6) is a chemical compound with molecular formula C11H16ClNO2 and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyl-1,3-benzodioxol-5-yl)propan-2-amine;hydrochloride
Also Known As: Eda-amphetamine, 3,4-Ethylenedioxyamphetamine, KST-1B8248, alpha,2-Dimethyl-1,3-benzodioxole-5-ethanamine, 1,3-benzodioxole-5-ethanamine,
| Molecular Formula | C11H16ClNO2 |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 2.1153 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 229.08696 |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 7400-96-6 |
|---|---|
| SMILES | CC1OC2=C(O1)C=C(C=C2)CC(C)N.Cl |
| InChIKey | NJIVHULZMPBOCP-UHFFFAOYSA-N |
Product Overview
1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride (CAS 7400-96-6), with molecular formula C11H16ClNO2 and molecular weight 229.09 g/mol. IUPAC: 1-(2-methyl-1,3-benzodioxol-5-yl)propan-2-amine;hydrochloride.
Chemical Property Profile of 1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride
Property Insights of 1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride
The XLogP value of 2.1153 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride. With a topological polar surface area (TPSA) of 44.5 Ų, 1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride?
The CAS number of 1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride is 7400-96-6.
What is the molecular formula of 1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride?
The molecular formula of 1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride is C11H16ClNO2.
What is the molecular weight of 1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride?
The molecular weight of 1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride is 229.09 g/mol.
Where can I buy 1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride?
You can request a quote for 1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-ethanamine, alpha,2-dimethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.